SCHEMBL97962

SCHEMBL97962

C=CCOc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
NAMPT P43490 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
NDUFS8 O00217 1/20 0.43
COXFA4 O00483 1/20 0.43
NDUFAB1 O14561 1/20 0.43
NDUFA1 O15239 1/20 0.43
NDUFS4 O43181 1/20 0.43
NDUFB5 O43674 1/20 0.43
NDUFB3 O43676 1/20 0.43
NDUFC1 O43677 1/20 0.43
NDUFA2 O43678 1/20 0.43
NDUFS5 O43920 1/20 0.43
NDUFS7 O75251 1/20 0.43
NDUFS2 O75306 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21314041 0.88 CA1 (0.52) CA2CA1CA12CA9NAMPT
SCHEMBL13613012 0.86 CA1 (0.53) CA2CA1CA12CA9NAMPT
SCHEMBL19607565 0.86 NDUFS8 (0.58) CA2CA1CA12CA9NAMPT
SCHEMBL27741033 0.84 ACACB (0.59) CA2CA1CA12CA9NAMPT
SCHEMBL23870163 0.83 CA1 (0.45) CA2CA1CA12CA9NAMPT
SCHEMBL1541945 0.83 CA1 (0.64) CA2CA1CA12CA9NAMPT
SCHEMBL8757517 0.82 CA2 (0.53) CA2CA1CA12CA9NAMPT
SCHEMBL19003451 0.82 ACACB (0.61) CA2CA1CA12CA9NAMPT
SCHEMBL26964370 0.82 CA1 (0.56) CA2CA1CA12CA9NAMPT
SCHEMBL2187363 0.82 CA1 (0.50) CA2CA1CA12CA9NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042843-A1 HIGH DENSITY PEPTIDE POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-15 US disclosed
US-20170327633-A1 COMPOSITIONS AND METHODS OF MAKING POLYMERIZING NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-11-16 US disclosed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CA2 65/4885CA1 1532/4885CA12 626/4885
US-20180042843-A1 HIGH DENSITY PEPTIDE POLYMERS ERMP1, PARL, PRAP1 CA2 4377/4885CA1 2979/4885CA12 3177/4885
US-20170327633-A1 COMPOSITIONS AND METHODS OF MAKING POLYMERIZING NUCLEIC ACIDS RNGTT, NSUN2, POLN CA2 2255/4885CA1 1847/4885CA12 1376/4885
US-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 CA2 2884/4885CA1 3258/4885CA12 2512/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 CA2 2884/4885CA1 3258/4885CA12 2512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.